Phenol, 4-(trans-4-propylcyclohexyl)-

HCID 3126231CAS 152126-35-7

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Grundinformationen

Standard-SMILES: CCCC1CCC(c2ccc(O)cc2)CC1
InChIKey: AHAZEMSUUYFDMM-UHFFFAOYSA-N
Summenformel: C15H22O
Durchschnittliche Molmasse: 218,33 g/mol
Monoisotopische Masse: 218,16706532

Namen und Bezeichner

Bevorzugter Name: Phenol, 4-(trans-4-propylcyclohexyl)-
IUPAC: 4-(4-propylcyclohexyl)phenol
Englischer Name: 4-(trans-4-Propylcyclohexyl)phenol
Summenformel: C15H22O
Molmasse: 218.34

Namen und Synonyme

Phenol, 4-(trans-4-propylcyclohexyl)-RefChem:861232690-919-94-(trans-4-Propylcyclohexyl)phenol81936-33-64-(4-propylcyclohexyl)phenol83167-91-34-Propylcyclohexanephenol4-(Trans-4-n-Propylcyclohexyl)PhenolMFCD006737514-[(1S,4R)-4-PROPYLCYCLOHEXYL]PHENOL4-((1s,4r)-4-propylcyclohexyl)phenol

Weitere Namen anzeigen

3PCOPropylcyclohexylphenolPROPYL CYCLOHEXYL-4 PHENOLPropylcyclohexylphenol 3PCOtrans-4-Propyl Cyclohexyl Phenoltrans-4-(4n-Propylcyclohexyl)phenol4-Trans-(4-propylcyclohexyl) Phenol

4-(Trans-4-propylcyclohexyl) phenylacetylenep-(trans-4-propylcyclohexyl)phenolTrans-4-(4-Propylcyclohexyl)phenol2-cyclohexyl-4-propylphenolSCHEMBL1119887SCHEMBL1531852SCHEMBL98156834-(4-n-propylcyclohexyl)-phenol

Datenbank-Bezeichner

CAS: 152126-35-7、81936-33-6
PubChem CID: 3126231
EC Number: 690-919-9
Nikkaji: J1.629.617A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,6
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 186

Physikochemische Eigenschaften

Schmelzpunkt: 138 °C · 138°C(lit.)
Siedepunkt: 339.8 · 339.8±21.0 °C(Predicted)
Dichte: 0.978 · 0.978±0.06 g/cm3(Predicted)
Dampfdruck: 0.002 Pa · 0.002Pa at 25℃
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 10.21 · 10.21±0.30(Predicted)
Farbe: White to Light yellow
Wasserlöslichkeit: 125 μg/L · 125μg/L at 20℃
InChI: InChI=1S/C15H22O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13,16H,2-7H2,1H3/t12-,13-
InChIKey: AHAZEMSUUYFDMM-JOCQHMNTSA-N
SMILES: C1(O)=CC=C([C@@H]2CC[C@@H](CCC)CC2)C=C1
LogP: 5 at · 5 at 40℃
CAS Datenbank: 81936 · 81936-33-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.